2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine

C23H13N9 — CID 121287228

IUPAC2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine
SMILESc1ncnc(-c2ccc3c(c2)cc(-c2ncncn2)c2ccc(-c4ncncn4)cc23)n1
InChIInChI=1S/C23H13N9/c1-3-17-16(5-14(1)21-27-8-24-9-28-21)7-20(23-31-12-26-13-32-23)18-4-2-15(6-19(17)18)22-29-10-25-11-30-22/h1-13H
InChIKeyVEKJVUXUMQCPBG-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.55
Rot. Bonds3

About 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine

2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine (PubChem CID 121287228) has the molecular formula C23H13N9 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine
PubChem CID121287228
Molecular FormulaC23H13N9
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine
SMILESc1ncnc(-c2ccc3c(c2)cc(-c2ncncn2)c2ccc(-c4ncncn4)cc23)n1
InChIInChI=1S/C23H13N9/c1-3-17-16(5-14(1)21-27-8-24-9-28-21)7-20(23-31-12-26-13-32-23)18-4-2-15(6-19(17)18)22-29-10-25-11-30-22/h1-13H
InChIKeyVEKJVUXUMQCPBG-UHFFFAOYSA-N
XLogP3.55
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-[6-[4-(1,10-phenanthrolin-5-yl)-1,3,5-triazin-2-yl]phenanthren-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline
CID 121287277
2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-1,3,5-triazine
CID 121287710
2-phenanthren-1-yl-1,3,5-triazine
CID 174667753
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
2-chrysen-6-ylpyrimidine;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-1,3,5-triazine;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)pyrimidine;2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-1,3,5-triazine
CID 160996171
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 174727422
2-(2-chloro-4-phenyl-6-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155716501
2-anthracen-1-yl-1,3,5-triazine
CID 87717818
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis[4-(1,3,5-triazin-2-yl)phenyl]anthracene-9,10-diamine
CID 59372260
2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 137389366

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine?
The IUPAC name of 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine (CID 121287228) is 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine?
The canonical SMILES for 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine is c1ncnc(-c2ccc3c(c2)cc(-c2ncncn2)c2ccc(-c4ncncn4)cc23)n1.
What is the InChIKey of 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine?
The InChIKey is VEKJVUXUMQCPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N9/c1-3-17-16(5-14(1)21-27-8-24-9-28-21)7-20(23-31-12-26-13-32-23)18-4-2-15(6-19(17)18)22-29-10-25-11-30-22/h1-13H.
What are the key properties of 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine?
2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine has a molecular weight of 415.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine is sourced from PubChem (CID 121287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).